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1-(2-furfuryl thio) propanone
1-(2-furfurylthio)propanone

Supplier Sponsors

Name:1-(furan-2-ylmethylsulfanyl)propan-2-one
CAS Number: 58066-86-7Picture of molecule3D/inchi
Nikkaji Web:J2.649.962C
XlogP3-AA:1.20 (est)
Molecular Weight:100.11716000
Formula:C5 H8 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2096 1-(2-furfurylthio)-propanone
FLAVIS Number:13.135 (Old)
DG SANTE Food Flavourings:13.135 1-(2-furfurylthio)propanone
FEMA Number:4676 1-(2-furfurylthio)propanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):58066-86-7 ; 1-(2-FURFURYLTHIO)PROPANONE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.14600 to 1.15400 @ 25.00 °C.
Pounds per Gallon - (est).: 9.536 to 9.602
Refractive Index:1.52500 to 1.53100 @ 20.00 °C.
Boiling Point: 281.00 to 282.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.038000 mmHg @ 25.00 °C. (est)
Flash Point: 210.00 °F. TCC ( 98.89 °C. )
logP (o/w): 0.792 (est)
Soluble in:
 alcohol
 water, 9870 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:roasted coffee
Flavor Type: burnt
burnt coffee sulfurous
Taste Description: at 10.00 ppm in sugar syrup. burnt coffee mercaptan
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Furfurythioacetone
DeLong Chemicals America
Furfurylthioacetone, Kosher
Endeavour Specialty Chemicals
3-(2-Furfurylthio)propanone 95% F&F
Speciality Chemical Product Groups
Penta International
1-(2-FURFURYLTHIO)-PROPANONE
R C Treatt & Co Ltd
1-(2-Furfurylthio)propanone Halal, Kosher
Robinson Brothers
3-(2-Furfurylthio)propanone F&F
https://www.robinsonbrothers.uk/chemistry-competences
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 1-(2-furfuryl thio) propanone usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 780 (μg/person/day)
Adequate NOAEL exists: Yes
Threshold of Concern:90 (μg/person/day)
Structure Class: III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 25
 average usual ppmaverage maximum ppm
baked goods: 1.000003.00000
beverages(nonalcoholic): 1.000002.00000
beverages(alcoholic): 1.000002.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 2.000005.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 2.000005.00000
hard candy: 1.000002.00000
imitation dairy: --
instant coffee / tea: 2.000005.00000
jams / jellies: --
meat products: 2.000005.00000
milk products: --
nut products: --
other grains: --
poultry: 0.100001.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 1.000003.00000
soft candy: --
soups: 1.000002.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.500002.50000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.50000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.300001.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.500002.50000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 2.0000010.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.400002.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c)
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :226249
National Institute of Allergy and Infectious Diseases:Data
1-(furan-2-ylmethylsulfanyl)propan-2-one
 
References:
 1-(furan-2-ylmethylsulfanyl)propan-2-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):226249
Pubchem (sid):80056
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9999
ChemSpider:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
 
Potential Blenders and core components note
For Odor
caramellic
iso
propenyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
fruity
tropical thiazole
FL/FR
For Flavor
alliaceous
tropical thiazole
FL/FR
burnt
iso
propenyl pyrazine
FL/FR
coffee
coffee difuran
FL/FR
sulfurous
furfuryl thiopropionate
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-(furan-2-yl methyl sulfanyl)-2-propanone
1-(furan-2-ylmethylsulfanyl)-2-propanone
1-(furan-2-ylmethylsulfanyl)propan-2-one
 furfuryl thioacetone
1-(2-furfurylthio) propanone
1-(furfurylthio)-2-propanone
1-(2-furfurylthio)-2-propanone
1-(2-furfurylthio)-propanone
(furfurylthio)acetone
1-(2-furfurylthio)propanone
3-(2-furfurylthio)propanone
 furfurylthioacetone
 furfurythio acetone
 furfurythioacetone
1-[(2-furylmethyl)sulfanyl]acetone
1-(2-furylmethylthio)acetone
2-propanone, 1-[(2-furanylmethyl)thio]-
 
 
Notes:
None found
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